Geometry & MOs

Info

ID:	286896
PubChem CID:	104223423
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	277.09819
ΔH_f, kcal/mol:	20.39
Dipole, Da:	3.87
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(5-chloro-2-methylphenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)OC2=NC=C(C=N2)CNC

DOS

IR

Vibrations